SCHEMBL4776455

SCHEMBL4776455

NC(Cc1ccccc1Cl)C(=O)N1CCC(c2cccc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.52
AKT2 P31751 2/20 0.52
AKT3 Q9Y243 2/20 0.52
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
HDAC8 Q9BY41 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MC4R P32245 1/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRK1 P41145 1/20 0.42
OPRD1 P41143 1/20 0.42
DRD4 P21917 1/20 0.41
NLN Q9BYT8 2/20 0.40
CYP51A1 Q16850 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4778471 0.90 HDAC8 (0.58) AKT1AKT2AKT3HRH3HDAC8
SCHEMBL4774660 0.85 AKT1 (0.52) AKT1AKT2AKT3HRH3DRD2
SCHEMBL6165830 0.81 AKT1 (0.55) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL6162786 0.81 AKT1 (0.55) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL4773496 0.81 HRH3 (0.43) AKT1AKT2AKT3HRH2HRH1
Hydrochloric Acid SCHEMBL25268077 0.79 AKT1 (0.54) AKT1AKT2AKT3HDAC8HDAC3
Hydrochloric Acid SCHEMBL25221908 0.79 AKT1 (0.54) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL19576823 0.76 AKT1 (0.58) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL10305134 0.75 HRH2 (0.54) AKT1AKT2AKT3HRH2HRH1
SCHEMBL4770926 0.73 AKT1 (0.55) AKT1AKT2AKT3MC4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 AKT1 3114/4885AKT2 2960/4885AKT3 3021/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.